SCHEMBL8568939

SCHEMBL8568939

Nc1c(S(=O)(=O)NCc2ccccc2)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.46
MAPT P10636 2/20 0.44
NSD2 O96028 2/20 0.44
NPY5R Q15761 2/20 0.43
POLB P06746 2/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
HPGD P15428 1/20 0.41
KEAP1 Q14145 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8562624 0.84 TXNRD1 (0.50) MAPTHTTLMNAMAPK1CA1
SCHEMBL8599003 0.84 KDM4E (0.37) MAPTHTTLMNAMAPK1HPGD
SCHEMBL8563164 0.82 MAPT (0.51) VCAM1MAPTNSD2NPY5RPOLB
SCHEMBL8598398 0.82 CA12 (0.40) MAPTNPY5RHTTLMNAMAPK1
SCHEMBL8562557 0.79 ALDH1A1 (0.41) MAPTPOLBHTTLMNAMAPK1
SCHEMBL8567087 0.79 VCAM1 (0.46) VCAM1MAPTNSD2NPY5RPOLB
SCHEMBL8568326 0.79 MGMT (0.44) MAPTHTTLMNAMAPK1CA1
SCHEMBL8559187 0.78 KDM4E (0.40) MAPTPOLBHTTLMNAMAPK1
SCHEMBL8569814 0.78 MAPT (0.61) MAPTPOLBHTTLMNAMAPK1
SCHEMBL8567834 0.76 POLB (0.48) VCAM1MAPTNSD2POLBHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed